methyl 2-(4-methylphenyl)-4-methylsulfanyl-4-methylsulfinyl-3-phenyl-butanoate

Systemtic Name: methyl 2-(4-methylphenyl)-4-methylsulfanyl-4-methylsulfinyl-3-phenyl-butanoate Openeye Name: methyl 4-methylsulfanyl-4-methylsulfinyl-3-phenyl-2-(p-tolyl)butanoate CAS Name: 2-(4-methylphenyl)-4-methylsulfinyl-4-(methylthio)-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)-4-methylsulfanyl-4-methylsulfinyl-3-phenylbutanoate Traditional Name: 4-methylsulfinyl-4-(methylthio)-3-phenyl-2-(p-tolyl)butyric acid methyl ester Formula: C20H24O3S2 MolecularWeight: 376.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(SC)S(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(SC)S(=O)C)C(=O)OC

InChI

InChI=1S/C20H24O3S2/c1-14-10-12-16(13-11-14)17(19(21)23-2)18(20(24-3)25(4)22)15-8-6-5-7-9-15/h5-13,17-18,20H,1-4H3